S796-0120 Screening compound: 5-(1-methyl-1H-pyrazole-5-carbonyl)-4-phenyl-1,5-diazacycloundecan-2-one

S796-0120 Screening compound: 5-(1-methyl-1H-pyrazole-5-carbonyl)-4-phenyl-1,5-diazacycloundecan-2-one
S796-0120 Screening compound: 5-(1-methyl-1H-pyrazole-5-carbonyl)-4-phenyl-1,5-diazacycloundecan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S796-0120
5-(1-methyl-1H-pyrazole-5-carbonyl)-4-phenyl-1,5-diazacycloundecan-2-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S796-0120

Molecular Formula

C20H26N4O2 (C20 H26 N4 O2)

Compound Name

5-(1-methyl-1H-pyrazole-5-carbonyl)-4-phenyl-1,5-diazacycloundecan-2-one

IUPAC name

5-(1-methyl-1H-pyrazole-5-carbonyl)-4-phenyl-15-diazacycloundecan-2-one

SMILES

Cn1nccc1C(N(CCCCCCNC(C1)=O)C1c1ccccc1)=O

InChI

InChI=1S/C20H26N4O2/c1-23-17(11-13-22-23)20(26)24-14-8-3-2-7-12-21-19(25)15-18(24)16-9-5-4-6-10-16/h4-6,9-11,13,18H,2-3,7-8,12,14-15H2,1H3,(H,21,25)/t18-/m0/s1

InChI Key

WEVFXYONQXCIJT-SFHVURJKSA-N

MDL Number (MFCD)

MFCD30464182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.572

Distribution Coefficient, logD

1.572

Water Solubility, LogSw

-1.88

Polar Surface Area

55.314

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

S796-0120 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S796-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S796-0120?
Check Price and Availability of S796-0120, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S796-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S796-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S796-0120
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of S796-0120 available by request